3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene

C23H15FOS — CID 12994524

IUPAC3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
SMILESFc1ccccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C23H15FOS/c24-20-9-4-3-8-19(20)23(22-10-5-15-26-22)14-13-18-17-7-2-1-6-16(17)11-12-21(18)25-23/h1-15H
InChIKeyNPWBWRGEKRCJKH-UHFFFAOYSA-N
MW358.44 g/mol
LogP6.39
Rot. Bonds2

About 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene

3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene (PubChem CID 12994524) has the molecular formula C23H15FOS and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
PubChem CID12994524
Molecular FormulaC23H15FOS
Molecular Weight358.44 g/mol
Exact Mass358.08
IUPAC Name3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene
SMILESFc1ccccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1
InChIInChI=1S/C23H15FOS/c24-20-9-4-3-8-19(20)23(22-10-5-15-26-22)14-13-18-17-7-2-1-6-16(17)11-12-21(18)25-23/h1-15H
InChIKeyNPWBWRGEKRCJKH-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The IUPAC name of 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene (CID 12994524) is 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene.
What is the SMILES notation for 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The canonical SMILES for 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene is Fc1ccccc1C1(c2cccs2)C=Cc2c(ccc3ccccc23)O1.
What is the InChIKey of 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
The InChIKey is NPWBWRGEKRCJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FOS/c24-20-9-4-3-8-19(20)23(22-10-5-15-26-22)14-13-18-17-7-2-1-6-16(17)11-12-21(18)25-23/h1-15H.
What are the key properties of 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene?
3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene has a molecular weight of 358.44 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-thiophen-2-ylbenzo[f]chromene is sourced from PubChem (CID 12994524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).